| 氧化锆基固体电解质价电子结构研究 |
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| 引用本文： | 石敏,房虹娇,许育东,郝曼曼,陈绵松,于桂洋,姚丹.氧化锆基固体电解质价电子结构研究[J].金属功能材料,2009,16(6):30-34. |
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| 作者姓名： | 石敏 房虹娇 许育东 郝曼曼 陈绵松 于桂洋 姚丹 |
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| 作者单位： | 合肥工业大学材料科学与工程学院,合肥,230009 |
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| 基金项目： | 合肥工业大学博士专项基金，教育部博士点新教师基金，合肥工业大学科技创新群体项目，合肥工业大学2009年大学生创新性实验计划项目 |
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| 摘 要： | 应用固体与分子经验电子理论（EET理论）计算了不同Y2O3掺杂量的ZrO2基固体电解质材料价电子结构,探讨了成分、价电子结构与离子电导率间的关系,得到了与实验规律一致的结果。提出了可用复合参量P来预测离子电导率,为从理论上预测具有高离子导电性的YSZ材料成分提供依据。
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| 关 键 词： | 固体与分子经验电子理论(EET理论) 价电子结构 ZrO2基固体电解质材料 离子导电性 |
Research on Valence Electron Structures of ZrO2- based Electrolyte |
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| SHI Min,FANG Hong-jiao,XU Yu-dong,HAO Man-man,CHEN Mian-song,YU Gui-yang,YAO Dan.Research on Valence Electron Structures of ZrO2- based Electrolyte[J].Metallic Functional Materials,2009,16(6):30-34. |
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| Authors: | SHI Min FANG Hong-jiao XU Yu-dong HAO Man-man CHEN Mian-song YU Gui-yang YAO Dan |
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| Affiliation: | (School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009, Anhui,China) |
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| Abstract: | The valence electron structures of Y3＋ doped ZrO2 electrolytes with different compositions were calculated by using the empirical electron theory（EET） of solids and molecules.The relationship between compositions,valence electron structures and ionic conductivities were also dealt with.The results of theory calculation are in accord with the experiment results.A complex parameter ＂P＂ is put forward to forecast conductivity in order to provide guide for selection of electrolytes with higher conductivities. |
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| Keywords: | empirical electron theory（EET） of solids and molecules valence electron structure ZrO2 based electrolyte ionic conductivity |
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